5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole

C14H20Cl2N2 — CID 113390064

IUPAC5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole
SMILESClCc1c(C2CCCC2)nn(C2CCCC2)c1Cl
InChIInChI=1S/C14H20Cl2N2/c15-9-12-13(10-5-1-2-6-10)17-18(14(12)16)11-7-3-4-8-11/h10-11H,1-9H2
InChIKeyGITKCCUYYOWHHJ-UHFFFAOYSA-N
MW287.23 g/mol
LogP5.05
Rot. Bonds3

About 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole

5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole (PubChem CID 113390064) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole
PubChem CID113390064
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole
SMILESClCc1c(C2CCCC2)nn(C2CCCC2)c1Cl
InChIInChI=1S/C14H20Cl2N2/c15-9-12-13(10-5-1-2-6-10)17-18(14(12)16)11-7-3-4-8-11/h10-11H,1-9H2
InChIKeyGITKCCUYYOWHHJ-UHFFFAOYSA-N
XLogP5.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.23
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole?
The IUPAC name of 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole (CID 113390064) is 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole?
The canonical SMILES for 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole is ClCc1c(C2CCCC2)nn(C2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole?
The InChIKey is GITKCCUYYOWHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c15-9-12-13(10-5-1-2-6-10)17-18(14(12)16)11-7-3-4-8-11/h10-11H,1-9H2.
What are the key properties of 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole?
5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole has a molecular weight of 287.23 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole is sourced from PubChem (CID 113390064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).